Evidence map›Paper›PMID 42904606›Full record

ArticleJournal of computational chemistry2026

POMs-GibbsNet: A Deep Neural Network for the Prediction of Thermodynamic Parameters of Polyoxometalates.

Jordi Buils, Carles Bo, David Balcells

Abstract read
In one paragraph

Article in Journal of computational chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

3 authors.

Jordi BuilsInstitute of Chemical Research of Catalonia (ICIQ), Tarragona, Spain.ORCID https://orcid.org/0000-0002-2674-6551
Carles BoInstitute of Chemical Research of Catalonia (ICIQ), Tarragona, Spain.ORCID https://orcid.org/0000-0001-9581-2922
David BalcellsHylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, Oslo, Norway.

Funding

Generalitat de CatalunyaMinisterio de Ciencia, Innovación y Universidades CEX2024-001469-SMinisterio de Ciencia, Innovación y Universidades PID2023-153344NB-I00Norwegian Supercomputing Program (NOTUR) NN4654KNorwegian Supercomputing Program (NOTUR) NS4654KRCN FRIPRO (catLEGOS project) 325003RCN (National Centers of Excellence (Hylleraas Centre)) 262695
6 · The paper itself

Abstract

Polyoxometalates (POMs) are versatile metal-oxo clusters with remarkable structural diversity and applications spanning catalysis, energy storage, and materials science. However, accurately predicting their thermodynamic properties remains computationally demanding due to the large system sizes and the cost of density functional theory (DFT) frequency calculations required to obtain Gibbs free energies. In this work, we present POMs-GibbsNet, a deep neural network designed to predict the thermal free energy correction (

Indexed as

AABBAneural networkPOMs‐GibbsNetPOMSimulator

Identifiers

PMID42904606
PMCPMC13685485

What OpenQuestion holds

Textmetadata
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.